General Information of the Compound
| Compound ID |
CP0469267
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O3
|
||||||||||||||||||
| Molecular Weight |
420.513
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CINVAGCQZHMSDL-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound